3α-Hydroxy-11,17-Dioxo-5Beta-Androstane

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name (3r,5r,8s,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-11,17-dione
Molecular Mass 304.424 g·mol−1
Heat of Formation -700.7 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 383.39 Å 3
Surface Area 301.52 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8s,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-11,17-dione
  • (3r,5r,8s,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-11,17-quinone
  • 11-ketoetiocholanolone
  • 3alpha-hydroxy-5beta-androstane-11,17-dione
  • 5beta-androstan-3alpha-ol-11,17-dione
  • 5beta-androstane-11,17-dione, 3alpha-hydroxy- (8ci)
  • androstane-11,17-dione, 3-hydroxy-, (3alpha,5beta)- (9ci)
CAS Number(s)
  • 739-27-5
InChIKey IUNYGQONJQTULL-UKZLPJRTSA-N
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